Find slow dynamic modes via analyzing molecular dynamics simulation trajectoriesProject supported by the National Natural Science Foundation of China (Grant No. 11904086)

It is a central issue to find the slow dynamic modes of biological macromolecules via analyzing the large-scale data of molecular dynamics simulation (MD). While the MD data are high-dimensional time-successive series involving all-atomic details and sub-picosecond time resolution, a few collective...

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Veröffentlicht in:	Chinese physics B 2020-10, Vol.29 (10)
Hauptverfasser:	Zhang, Chuanbiao, Zhou, Xin
Format:	Artikel
Sprache:	eng
Schlagworte:	molecular dynamics simulation slow modes trajectory map
Online-Zugang:	Volltext
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